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CN 11-5639/O4
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Other articles related with "31.15.A-":
96101 Chuanxi Zhu, Tao Yu
  Effects of Re, Ta, and W in [110] (001) dislocation core of γ/γ' interface to Ni-based superalloys: First-principles study
    Chin. Phys. B   2020 Vol.29 (9): 96101-096101 [Abstract] (31) [HTML 1 KB] [PDF 1170 KB] (34)
97101 N A Noor, Nosheen Mushahid, Aslam Khan, Nessrin A. Kattan, Asif Mahmood, Shahid M. Ramay
  Vanadium based XVO3 (X=Na, K, Rb) as promising thermoelectric materials: First-principle DFT calculations
    Chin. Phys. B   2020 Vol.29 (9): 97101-097101 [Abstract] (45) [HTML 1 KB] [PDF 549 KB] (49)
83101 Endong Wang, Beien Zhu, Yi Gao
  Discontinuous transition between Zundel and Eigen for H5O2+
    Chin. Phys. B   2020 Vol.29 (8): 83101-083101 [Abstract] (52) [HTML 1 KB] [PDF 1328 KB] (68)
87101 Yong Li, Peng Xu, Xiaoming Zhang, Guodong Liu, Enke Liu, Lingwei Li
  Electronic structures, magnetic properties, and martensitic transformation in all-d-metal Heusler-like alloys Cd2MnTM(TM=Fe, Ni, Cu)
    Chin. Phys. B   2020 Vol.29 (8): 87101-087101 [Abstract] (55) [HTML 1 KB] [PDF 927 KB] (60)
67702 Ting Wang, Yan-Chen Fan, Jie Xing, Ze Xu, Geng Li, Ke Wang, Jia-Gang Wu, Jian-Guo Zhu
  First-principles calculation of influences of La-doping on electronic structures of KNN lead-free ceramics
    Chin. Phys. B   2020 Vol.29 (6): 67702-067702 [Abstract] (48) [HTML 1 KB] [PDF 614 KB] (113)
53104 Mengya Lu, Yanping Huang, Fubo Tian, Da Li, Defang Duan, Qiang Zhou, Tian Cui
  Ab initio studies on ammonium iodine under high pressure
    Chin. Phys. B   2020 Vol.29 (5): 53104-053104 [Abstract] (63) [HTML 1 KB] [PDF 698 KB] (64)
58104 Bao Lei, Yu-Yang Zhang, Shi-Xuan Du
  Prediction of structured void-containing 1T-PtTe2 monolayer with potential catalytic activity for hydrogen evolution reaction
    Chin. Phys. B   2020 Vol.29 (5): 58104-058104 [Abstract] (54) [HTML 1 KB] [PDF 796 KB] (87)
43103 Dianwu Wang, Chongyu Wang, Tao Yu, Wenqing Liu
  Re effects in model Ni-based superalloys investigated with first-principles calculations and atom probe tomography
    Chin. Phys. B   2020 Vol.29 (4): 43103-043103 [Abstract] (99) [HTML 1 KB] [PDF 7795 KB] (61)
33102 Jian-Gang Xu, Cong-Ying Zhang, Yun-Guang Zhang
  Vibronic spectra of aluminium monochloride relevant to circumstellar molecule
    Chin. Phys. B   2020 Vol.29 (3): 33102-033102 [Abstract] (65) [HTML 1 KB] [PDF 736 KB] (58)
23102 Yuan Sun, Bin Xu, Lin Yi
  HfN2 monolayer: A new direct-gap semiconductor with high and anisotropic carrier mobility
    Chin. Phys. B   2020 Vol.29 (2): 23102-023102 [Abstract] (83) [HTML 1 KB] [PDF 1343 KB] (134)
116201 Hong-Bin Wang, Li Zhang, Jie Duan
  Electronic structure of YbB6 dependent on onsite Coulomb interaction U and internal parameter of B atom
    Chin. Phys. B   2019 Vol.28 (11): 116201-116201 [Abstract] (107) [HTML 1 KB] [PDF 814 KB] (90)
103104 Yonghong Tian, Weiguo Sun, Bole Chen, Yuanyuan Jin, Cheng Lu
  Cluster structure prediction via CALYPSO method
    Chin. Phys. B   2019 Vol.28 (10): 103104-103104 [Abstract] (310) [HTML 1 KB] [PDF 5005 KB] (358)
106102 Yuan You, Mu-Fu Yan, Ji-Hong Yan, Gang Sun, Chao Wang
  First principles study of interactions of oxygen-carbon-vacancy in bcc Fe
    Chin. Phys. B   2019 Vol.28 (10): 106102-106102 [Abstract] (66) [HTML 1 KB] [PDF 5351 KB] (90)
106104 Shuangshuang Zhang, Julong He, Zhisheng Zhao, Dongli Yu, Yongjun Tian
  Discovery of superhard materials via CALYPSO methodology
    Chin. Phys. B   2019 Vol.28 (10): 106104-106104 [Abstract] (178) [HTML 1 KB] [PDF 1811 KB] (222)
93102 Yuzhi Song, Songsong Liu, Jiajun Lu, Hui Zhang, Changzhe Zhang, Jun Du
  The substituent effect on the excited state intramolecular proton transfer of 3-hydroxychromone
    Chin. Phys. B   2019 Vol.28 (9): 93102-093102 [Abstract] (107) [HTML 1 KB] [PDF 3543 KB] (90)
83101 Sheng-Peng Zhou, Ai-Hua Liu, Fang Liu, Chun-Cheng Wang, Da-Jun Ding
  Efficient solver for time-dependent Schrödinger equation with interaction between atoms and strong laser field
    Chin. Phys. B   2019 Vol.28 (8): 83101-083101 [Abstract] (156) [HTML 1 KB] [PDF 976 KB] (144)
73101 Qiao-Xia Wang, Yu-Min Wang, Ri Ma, Bing Yan
  Accurate all-electron calculation on the vibrational and rotational spectra of ground states for O2 and its ions
    Chin. Phys. B   2019 Vol.28 (7): 73101-073101 [Abstract] (109) [HTML 1 KB] [PDF 389 KB] (108)
43101 Xiang Yuan, Shuang Yin, Yi Lian, Pei-Yuan Yan, Hai-Feng Xu, Bing Yan
  Low-lying electronic states of aluminum monoiodide
    Chin. Phys. B   2019 Vol.28 (4): 43101-043101 [Abstract] (196) [HTML 1 KB] [PDF 786 KB] (120)
13101 Qiang Li, Zhen-Ling Wang, Yu-Cheng Yu, Lan Ma, Shao-Li Yang, Hai-Bo Wang, Rui Zhang
  First-principles study of structural, electronic, elastic, and thermal properties of Imm2-BC
    Chin. Phys. B   2019 Vol.28 (1): 13101-013101 [Abstract] (141) [HTML 1 KB] [PDF 1710 KB] (124)
13203 Xue Yang, Haifeng Xu, Bing Yan
  Accurate calculation of electron affinity for S3
    Chin. Phys. B   2019 Vol.28 (1): 13203-013203 [Abstract] (179) [HTML 1 KB] [PDF 359 KB] (105)
113101 Jing Hu, Xiu-Neng Song, Sheng-Yu Wang, Juan Lin, Jun-Rong Zhang, Yong Ma
  Landscape of s-triazine molecule on Si(100) by a theoretical x-ray photoelectron spectroscopy and x-ray absorption near-edge structure spectra study
    Chin. Phys. B   2018 Vol.27 (11): 113101-113101 [Abstract] (167) [HTML 1 KB] [PDF 609 KB] (128)
103101 Jie Cui, Jian-Gang Xu, Jian-Xia Qi, Ge Dou, Yun-Guang Zhang
  Laser cooling of CH molecule: Insights from ab initio study
    Chin. Phys. B   2018 Vol.27 (10): 103101-103101 [Abstract] (220) [HTML 1 KB] [PDF 597 KB] (163)
83101 Dong-lan Wu, Cheng-quan Lin, Yu-feng Wen, An-dong Xie, Bing Yan
  Configuration interaction calculations on the spectroscopic and transition properties of magnesium chloride
    Chin. Phys. B   2018 Vol.27 (8): 83101-083101 [Abstract] (143) [HTML 1 KB] [PDF 751 KB] (190)
23103 Shuang Liu, Yan-Zhen Ma, Yun-Fan Yang, Song-Song Liu, Yong-Qing Li, Yu-Zhi Song
  Excited state intramolecular proton transfer mechanism of o-hydroxynaphthyl phenanthroimidazole
    Chin. Phys. B   2018 Vol.27 (2): 23103-023103 [Abstract] (167) [HTML 1 KB] [PDF 1144 KB] (166)
117202 Wanhuizi Shen, Daifeng Zou, Guozheng Nie, Ying Xu
  Biaxial strain-induced enhancement in the thermoelectric performance of monolayer WSe2
    Chin. Phys. B   2017 Vol.26 (11): 117202-117202 [Abstract] (190) [HTML 1 KB] [PDF 617 KB] (258)
93101 Yun-Guang Zhang, Hua Zhang, Ge Dou
  Theoretical study of spin-forbidden cooling transitions of indium hydride using ab initio methods
    Chin. Phys. B   2017 Vol.26 (9): 93101-093101 [Abstract] (258) [HTML 1 KB] [PDF 287 KB] (238)
93102 Shaohua Liu, Zi Li, Chongyu Wang
  First-principles study of solute diffusion in Ni3Al
    Chin. Phys. B   2017 Vol.26 (9): 93102-093102 [Abstract] (206) [HTML 1 KB] [PDF 632 KB] (241)
83102 Yong Zhou, Yun-Kun Wang, Xiao-Fei Wang, Yu-Jin Zhang, Chuan-Kui Wang
  Responsive mechanism of three novel hypochlorous acid fluorescent probes and solvent effect on their sensing performance
    Chin. Phys. B   2017 Vol.26 (8): 83102-083102 [Abstract] (285) [HTML 1 KB] [PDF 1278 KB] (206)
68801 Li Ma, Xue-Ling Jin, Hui-Hui Yang, Xiao-Xia Wang, Ning Du, Hong-Shan Chen
  Dissociation of H2 on Mg-coated B12C6N6
    Chin. Phys. B   2017 Vol.26 (6): 68801-068801 [Abstract] (151) [HTML 1 KB] [PDF 1884 KB] (172)
33101 Ming-Jie Wan, Cheng-Guo Jin, You Yu, Duo-Hui Huang, Ju-Xiang Shao
  Potential energy curves, transition dipole moments, and radiative lifetimes of KBe molecule
    Chin. Phys. B   2017 Vol.26 (3): 33101-033101 [Abstract] (287) [HTML 1 KB] [PDF 363 KB] (238)
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